Crystallography Open Database

Information card for entry 8105059

Preview

Coordinates	8105059.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H25 Cu N O5
Calculated formula	C14 H25 Cu N O5
SMILES	[Cu]123(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[OH]CC[N]3(C)C
Title of publication	Crystal structure of bis(acetylacetonato-κ2O,O′)-(ethanolamine-κ2N,O)copper(II), C14H25CuNO5
Authors of publication	Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	207 - 209
a	7.7319 ± 0.0003 Å
b	9.9198 ± 0.0005 Å
c	11.6827 ± 0.0005 Å
α	81.866 ± 0.004°
β	75.576 ± 0.004°
γ	74.562 ± 0.004°
Cell volume	833.78 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
274475 (current)	2022-04-12	cif/ Adding structures of 8105059 via cif-deposit CGI script.	8105059.cif